#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dql s LYS 2 N 0.00 2.61 0.46 2.12 3.01 -1.26 -5.01 119.74 121.67 2dql s LYS 2 Ca 0.00 -1.19 0.12 0.00 -1.01 0.00 0.00 55.97 53.89 2dql s LYS 2 Cb 0.00 -2.39 1.06 0.00 -1.01 0.00 0.00 37.83 35.50 2dql s LYS 2 CO 0.00 0.40 2.09 0.97 0.51 0.00 0.00 175.35 179.32 2dql h ILE 3 N 1.82 1.06 0.00 2.17 2.10 -2.07 -0.87 117.51 121.72 2dql h ILE 3 Ca -0.47 -0.18 -0.06 0.00 1.08 0.00 0.00 64.86 65.24 2dql h ILE 3 Cb 1.23 0.86 -0.01 0.00 -1.09 0.00 0.00 36.82 37.82 2dql h ILE 3 CO 0.60 0.07 -0.28 -0.08 -1.08 0.00 0.00 178.15 177.38 2dql h GLU 4 N 0.22 0.00 0.00 2.19 4.57 -2.00 -2.02 114.58 117.53 2dql h GLU 4 Ca 0.06 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 2dql h GLU 4 Cb 0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2dql h GLU 4 CO -0.01 0.28 -0.32 -0.44 -1.18 0.00 0.00 179.01 177.34 2dql h ASP 5 N 0.00 0.00 -0.09 1.04 3.32 -1.55 -1.04 116.42 118.10 2dql h ASP 5 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2dql h ASP 5 Cb 0.55 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 2dql h ASP 5 CO 0.04 0.32 -0.03 0.40 -1.72 0.00 0.00 179.24 178.25 2dql h ILE 6 N 0.00 1.30 -0.72 0.35 2.04 -1.36 -1.52 117.51 117.60 2dql h ILE 6 Ca -0.00 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 2dql h ILE 6 Cb 0.62 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 2dql h ILE 6 CO 0.04 0.28 0.41 1.88 0.00 0.00 0.00 178.15 180.75 2dql h TYR 7 N -0.16 0.97 -0.93 1.37 0.05 -1.42 -2.49 116.97 114.35 2dql h TYR 7 Ca 0.02 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.80 2dql h TYR 7 Cb 0.45 -0.31 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 2dql h TYR 7 CO 0.06 0.68 0.62 1.96 -1.05 0.00 0.00 178.16 180.42 2dql h GLN 8 N 0.98 1.21 -0.89 4.88 1.08 -1.11 0.70 115.11 121.96 2dql h GLN 8 Ca 0.25 -0.07 0.10 0.00 -1.45 0.00 0.00 58.65 57.48 2dql h GLN 8 Cb 0.01 -0.27 -0.07 0.00 -0.05 0.00 0.00 27.48 27.10 2dql h GLN 8 CO -0.04 0.80 0.53 0.35 -0.95 0.00 0.00 178.83 179.52 2dql h PHE 9 N 1.24 0.97 0.07 2.96 3.57 -0.81 0.44 116.94 125.39 2dql h PHE 9 Ca 0.35 0.03 -0.27 0.00 3.53 0.00 0.00 57.97 61.61 2dql h PHE 9 Cb -0.11 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.31 2dql h PHE 9 CO -0.00 0.41 -1.36 0.74 -2.23 0.00 0.00 178.31 175.87 2dql h PHE 10 N 0.90 0.28 0.17 0.41 0.04 -1.37 -3.03 116.94 114.33 2dql h PHE 10 Ca 0.42 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 2dql h PHE 10 Cb 0.36 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.50 2dql h PHE 10 CO -0.04 1.21 -0.08 0.93 -0.60 0.00 0.00 178.31 179.73 2dql h GLU 11 N 0.04 -0.22 -3.07 1.51 5.08 -0.35 -3.38 114.58 114.19 2dql h GLU 11 Ca -0.17 0.01 -0.62 0.00 -1.00 0.00 0.00 59.36 57.59 2dql h GLU 11 Cb 1.94 0.05 -0.41 0.00 0.50 0.00 0.00 28.75 30.83 2dql h GLU 11 CO 0.15 0.17 -0.66 -0.80 -1.00 0.00 0.00 179.01 176.87 2dql s ASN 12 N -5.36 4.15 0.11 1.42 0.01 0.15 -5.07 114.94 110.35 2dql s ASN 12 Ca -0.14 -3.36 -0.36 0.00 -0.71 0.00 0.00 52.86 48.29 2dql s ASN 12 Cb 0.02 -1.41 -0.16 0.00 0.41 0.00 0.00 41.25 40.11 2dql s ASN 12 CO 0.57 -0.16 1.43 -2.65 -1.51 0.00 0.00 177.10 174.78 2dql n PRO 13 N 2.61 1.52 -1.23 -0.60 -0.02 -1.15 -4.55 135.00 131.58 2dql n PRO 13 Ca 0.15 0.55 -0.30 0.00 -2.02 0.00 0.00 63.50 61.88 2dql n PRO 13 Cb 0.35 -2.24 0.12 0.00 -0.02 0.00 0.00 33.50 31.72 2dql n PRO 13 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2dql s PRO 14 N 0.65 1.59 0.81 0.52 0.04 -1.26 -4.99 135.00 132.35 2dql s PRO 14 Ca 0.82 0.92 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 2dql s PRO 14 Cb -0.85 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 31.93 2dql s PRO 14 CO 0.43 -2.04 1.13 -1.25 0.04 0.00 0.00 177.00 175.32 2dql s PRO 15 N -4.93 1.85 -0.16 0.56 0.04 -1.26 -4.99 135.00 126.10 2dql s PRO 15 Ca 0.63 1.41 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 2dql s PRO 15 Cb -0.18 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2dql s PRO 15 CO 0.57 -1.98 0.57 0.99 0.04 0.00 0.00 177.00 177.18 2dql s THR 16 N -2.63 5.09 -0.15 1.26 2.01 0.53 -4.88 115.64 116.86 2dql s THR 16 Ca 0.65 1.10 -0.17 0.00 0.31 0.00 0.00 61.69 63.59 2dql s THR 16 Cb -0.21 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2dql s THR 16 CO 0.54 0.20 0.42 -0.31 -0.69 0.00 0.00 174.62 174.77 2dql s TYR 17 N 1.40 3.46 0.27 4.92 1.51 -1.26 -0.92 117.35 126.73 2dql s TYR 17 Ca 0.28 0.75 -0.30 0.00 -1.01 0.00 0.00 57.07 56.79 2dql s TYR 17 Cb -0.16 -2.50 -0.10 0.00 -0.11 0.00 0.00 41.96 39.09 2dql s TYR 17 CO 0.11 0.14 1.43 -0.51 -1.11 0.00 0.00 175.55 175.61 2dql s LEU 18 N 0.77 4.39 0.73 -1.29 1.43 -0.46 -4.95 118.68 119.30 2dql s LEU 18 Ca 0.22 2.70 -0.10 0.00 -1.03 0.00 0.00 54.13 55.92 2dql s LEU 18 Cb -0.14 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.49 2dql s LEU 18 CO 0.08 -0.69 1.08 0.00 0.23 0.00 0.00 176.35 177.05 2dql h GLN 20 N -0.73 0.62 -0.49 0.00 4.15 -1.95 -0.52 115.11 116.19 2dql h GLN 20 Ca -0.45 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 58.97 2dql h GLN 20 Cb 1.30 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.81 2dql h GLN 20 CO 0.63 0.41 0.25 0.93 -1.93 0.00 0.00 178.83 179.13 2dql h GLU 21 N 0.64 0.48 -0.26 1.69 3.07 -1.98 -0.63 114.58 117.59 2dql h GLU 21 Ca 0.35 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 59.04 2dql h GLU 21 Cb 0.33 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2dql h GLU 21 CO -0.25 0.32 -0.36 0.28 -1.40 0.00 0.00 179.01 177.60 2dql h VAL 22 N 0.50 1.31 -0.83 3.13 2.07 -1.87 -3.12 116.25 117.44 2dql h VAL 22 Ca 0.21 -1.56 0.04 0.00 0.82 0.00 0.00 66.70 66.21 2dql h VAL 22 Cb 0.11 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 2dql h VAL 22 CO -0.14 0.49 0.54 0.00 0.02 0.00 0.00 177.57 178.48 2dql h ALA 23 N 0.66 1.50 -0.51 1.67 0.00 -0.81 -0.44 119.26 121.33 2dql h ALA 23 Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dql h ALA 23 Cb 0.95 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2dql h ALA 23 CO 0.08 0.42 0.32 0.82 0.00 0.00 0.00 179.25 180.89 2dql h ILE 24 N 1.02 1.15 -0.55 0.00 2.04 -1.06 0.26 117.51 120.36 2dql h ILE 24 Ca 0.33 -0.31 -0.11 0.00 1.00 0.00 0.00 64.86 65.77 2dql h ILE 24 Cb 0.04 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 2dql h ILE 24 CO -0.10 0.15 -0.10 0.00 0.00 0.00 0.00 178.15 178.10 2dql h TYR 26 N 0.92 0.48 -0.30 0.00 3.20 -0.82 -0.37 116.97 120.07 2dql h TYR 26 Ca 0.14 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 2dql h TYR 26 Cb 0.67 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2dql h TYR 26 CO 0.05 0.45 0.19 0.82 -1.64 0.00 0.00 178.16 178.02 2dql h ILE 27 N 0.36 1.10 -0.54 1.81 2.04 -0.86 -1.50 117.51 119.92 2dql h ILE 27 Ca 0.11 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 2dql h ILE 27 Cb 0.17 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2dql h ILE 27 CO -0.01 0.10 0.14 -0.07 0.00 0.00 0.00 178.15 178.31 2dql h LEU 28 N 0.39 0.76 -0.71 1.44 3.38 -1.20 0.28 115.31 119.64 2dql h LEU 28 Ca 0.11 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2dql h LEU 28 Cb -0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 2dql h LEU 28 CO -0.02 0.73 0.43 0.22 0.09 0.00 0.00 178.44 179.90 2dql h TYR 29 N 0.79 0.81 -0.05 1.13 3.20 -0.54 -1.30 116.97 121.01 2dql h TYR 29 Ca 0.18 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 2dql h TYR 29 Cb 0.27 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2dql h TYR 29 CO 0.02 0.43 -0.11 0.28 -1.64 0.00 0.00 178.16 177.14 2dql h VAL 30 N 0.83 1.43 -0.02 1.81 2.07 -0.61 -3.27 116.25 118.49 2dql h VAL 30 Ca 0.30 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.37 2dql h VAL 30 Cb 0.09 2.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2dql h VAL 30 CO -0.14 0.40 0.02 -0.07 0.02 0.00 0.00 177.57 177.79 2dql h LEU 31 N -0.37 0.02 -1.70 2.57 3.38 -0.79 -0.55 115.31 117.87 2dql h LEU 31 Ca -0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2dql h LEU 31 Cb 0.70 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2dql h LEU 31 CO 0.02 0.01 -0.14 -0.07 0.09 0.00 0.00 178.44 178.35 2dql h LEU 32 N 0.02 0.00 0.00 1.67 3.38 -1.28 -2.12 115.31 116.98 2dql h LEU 32 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2dql h LEU 32 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2dql h LEU 32 CO -0.00 0.14 -0.62 1.56 0.09 0.00 0.00 178.44 179.61 2dql h GLN 33 N 0.00 0.00 0.00 1.13 4.20 -1.18 -3.49 115.11 115.77 2dql h GLN 33 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2dql h GLN 33 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2dql h GLN 33 CO 0.02 0.06 0.00 0.41 -0.67 0.00 0.00 178.83 178.64 2dql n GLY 34 N 1.17 3.29 3.67 3.46 0.00 -0.80 -5.14 105.19 110.85 2dql n GLY 34 Ca 0.01 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 2dql n GLY 34 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dql n GLU 35 N -1.04 1.31 -4.05 1.61 0.28 -1.26 -4.05 120.64 113.44 2dql n GLU 35 Ca 0.00 0.49 -0.11 0.00 -0.16 0.00 0.00 57.16 57.38 2dql n GLU 35 Cb 0.00 -2.32 -0.05 0.00 1.43 0.00 0.00 31.44 30.50 2dql n GLU 35 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2dql s SER 36 N -1.02 0.22 0.26 -1.84 0.15 -1.19 -4.94 113.70 105.34 2dql s SER 36 Ca 0.72 -1.15 0.03 0.00 0.70 0.00 0.00 55.95 56.24 2dql s SER 36 Cb -0.44 0.58 -0.05 0.00 -1.71 0.00 0.00 66.02 64.40 2dql s SER 36 CO 0.50 -1.15 0.05 -0.72 1.20 0.00 0.00 173.24 173.11 2dql s TYR 37 N -3.73 1.63 0.11 3.44 -0.85 -1.26 -0.71 117.35 115.98 2dql s TYR 37 Ca 0.27 -1.03 -0.27 0.00 -0.52 0.00 0.00 57.07 55.52 2dql s TYR 37 Cb 0.00 -0.98 -0.09 0.00 0.38 0.00 0.00 41.96 41.28 2dql s TYR 37 CO 0.13 -0.15 1.45 0.78 -1.52 0.00 0.00 175.55 176.24 2dql h GLY 38 N 2.37 -1.17 1.42 5.49 0.00 -2.00 -0.13 103.07 109.04 2dql h GLY 38 Ca -0.39 0.76 0.02 0.00 0.00 0.00 0.00 47.33 47.72 2dql h GLY 38 CO 0.64 -0.21 0.36 -0.91 0.00 0.00 0.00 176.54 176.42 2dql h THR 39 N -0.27 1.10 -0.30 4.70 1.35 -1.98 -2.20 112.91 115.31 2dql h THR 39 Ca 0.07 -0.23 -0.16 0.00 -0.55 0.00 0.00 66.41 65.54 2dql h THR 39 Cb 0.47 0.37 -0.00 0.00 -1.73 0.00 0.00 68.15 67.26 2dql h THR 39 CO -0.55 0.12 -0.45 -0.08 -0.25 0.00 0.00 175.52 174.31 2dql h GLU 40 N 0.67 0.83 -0.81 4.72 4.81 -1.84 -0.99 114.58 121.97 2dql h GLU 40 Ca 0.21 -0.50 0.05 0.00 -0.13 0.00 0.00 59.36 58.99 2dql h GLU 40 Cb 0.00 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 2dql h GLU 40 CO -0.05 1.13 0.50 -0.07 -0.73 0.00 0.00 179.01 179.80 2dql h LEU 41 N 0.60 0.81 -0.02 1.64 3.38 -0.46 0.25 115.31 121.51 2dql h LEU 41 Ca 0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2dql h LEU 41 Cb 1.05 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2dql h LEU 41 CO 0.10 0.53 -0.03 0.40 0.09 0.00 0.00 178.44 179.54 2dql h ILE 42 N 0.95 1.40 -0.53 1.22 2.04 -1.35 -3.04 117.51 118.20 2dql h ILE 42 Ca 0.34 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 2dql h ILE 42 Cb 0.10 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2dql h ILE 42 CO -0.15 0.32 0.26 -0.61 0.00 0.00 0.00 178.15 177.97 2dql h GLN 43 N -0.43 0.76 -0.83 2.37 5.75 -0.89 -2.77 115.11 119.07 2dql h GLN 43 Ca 0.00 -0.11 0.07 0.00 -0.15 0.00 0.00 58.65 58.47 2dql h GLN 43 Cb 0.54 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 28.89 2dql h GLN 43 CO 0.01 0.62 0.50 0.37 -2.65 0.00 0.00 178.83 177.68 2dql h GLN 44 N 0.71 0.87 0.33 1.69 4.15 -0.59 -0.87 115.11 121.39 2dql h GLN 44 Ca 0.18 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 2dql h GLN 44 Cb 0.11 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.61 2dql h GLN 44 CO -0.02 0.57 -0.16 1.25 -1.93 0.00 0.00 178.83 178.54 2dql h LEU 45 N 0.90 -0.37 -1.14 -2.39 5.85 -1.37 -2.24 115.31 114.54 2dql h LEU 45 Ca 0.38 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2dql h LEU 45 Cb 0.23 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2dql h LEU 45 CO -0.20 -0.16 0.00 1.05 -0.34 0.00 0.00 178.44 178.79 2dql h GLU 46 N -0.57 0.00 -0.01 1.25 4.11 -1.32 0.18 114.58 118.22 2dql h GLU 46 Ca -0.04 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.27 2dql h GLU 46 Cb 0.42 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.68 2dql h GLU 46 CO 0.07 0.00 -0.43 1.15 0.07 0.00 0.00 179.01 179.88 2dql h THR 47 N 0.00 1.47 0.01 -1.06 2.02 -1.10 -2.91 112.91 111.34 2dql h THR 47 Ca 0.00 -1.98 -0.22 0.00 0.77 0.00 0.00 66.41 64.99 2dql h THR 47 Cb 0.62 2.61 -0.03 0.00 -1.74 0.00 0.00 68.15 69.61 2dql h THR 47 CO 0.00 0.56 -1.07 -0.08 0.37 0.00 0.00 175.52 175.30 2dql h GLU 48 N -0.26 0.01 -2.63 6.66 4.81 -1.31 -3.39 114.58 118.47 2dql h GLU 48 Ca -0.05 -0.02 -0.60 0.00 -0.13 0.00 0.00 59.36 58.56 2dql h GLU 48 Cb 1.15 0.01 -0.40 0.00 0.63 0.00 0.00 28.75 30.13 2dql h GLU 48 CO 0.09 0.97 -0.78 0.72 -0.73 0.00 0.00 179.01 179.28 2dql n HIS 49 N -3.33 1.32 0.25 0.92 8.25 0.63 -5.00 115.22 118.26 2dql n HIS 49 Ca -0.02 -3.83 0.15 0.00 -0.26 0.00 0.00 57.72 53.76 2dql n HIS 49 Cb 0.95 -0.24 0.68 0.00 1.12 0.00 0.00 29.99 32.50 2dql n HIS 49 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2dql h PRO 50 N 5.28 0.00 -0.63 -0.41 0.11 -1.71 -0.28 132.00 134.35 2dql h PRO 50 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2dql h PRO 50 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2dql h PRO 50 CO 0.57 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.61 2dql n THR 51 N -3.04 1.48 -4.27 -1.15 -2.24 -1.26 -4.90 114.28 98.91 2dql n THR 51 Ca 0.02 -0.97 -0.23 0.00 -2.27 0.00 0.00 64.05 60.60 2dql n THR 51 Cb 0.57 0.07 -0.12 0.00 -2.10 0.00 0.00 70.33 68.75 2dql n THR 51 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2dql s TYR 52 N -1.77 1.71 0.04 4.78 2.02 -0.12 -0.35 117.35 123.67 2dql s TYR 52 Ca 0.43 -0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 56.67 2dql s TYR 52 Cb 0.27 -0.94 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 2dql s TYR 52 CO 0.21 0.19 0.04 1.03 -1.57 0.00 0.00 175.55 175.45 2dql s ARG 53 N -1.90 0.57 -0.12 -0.62 1.81 -0.10 -4.25 118.95 114.34 2dql s ARG 53 Ca 0.05 -0.89 -0.01 0.00 -1.72 0.00 0.00 55.73 53.16 2dql s ARG 53 Cb -0.10 0.21 0.04 0.00 -0.45 0.00 0.00 34.95 34.65 2dql s ARG 53 CO 0.04 -0.13 -0.02 -1.17 -0.68 0.00 0.00 175.30 173.34 2dql s LEU 54 N -2.33 1.03 0.62 2.53 2.96 -1.26 -1.35 118.68 120.87 2dql s LEU 54 Ca -0.02 -0.39 -0.12 0.00 -0.22 0.00 0.00 54.13 53.38 2dql s LEU 54 Cb 0.01 -0.64 -0.04 0.00 0.50 0.00 0.00 46.19 46.02 2dql s LEU 54 CO -0.06 -0.20 1.03 -0.94 -1.32 0.00 0.00 176.35 174.86 2dql s SER 55 N 1.83 6.15 0.23 3.68 1.04 -1.26 -4.89 113.70 120.48 2dql s SER 55 Ca 0.03 1.47 -0.06 0.00 0.48 0.00 0.00 55.95 57.86 2dql s SER 55 Cb -0.14 -2.48 0.22 0.00 0.10 0.00 0.00 66.02 63.72 2dql s SER 55 CO -0.07 -0.92 1.82 0.44 0.98 0.00 0.00 173.24 175.50 2dql h ASP 56 N -0.24 1.08 0.03 7.02 3.32 -2.01 0.23 116.42 125.86 2dql h ASP 56 Ca -0.44 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 56.48 2dql h ASP 56 Cb 1.19 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 2dql h ASP 56 CO 0.61 0.92 -0.05 0.74 -1.72 0.00 0.00 179.24 179.73 2dql h THR 57 N 1.18 0.86 -0.37 0.35 2.02 -1.99 -0.92 112.91 114.04 2dql h THR 57 Ca 0.28 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.36 2dql h THR 57 Cb 0.13 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2dql h THR 57 CO -0.03 0.00 -0.18 0.58 0.37 0.00 0.00 175.52 176.26 2dql h VAL 58 N -0.11 1.28 -0.24 3.16 2.07 -1.88 -1.49 116.25 119.05 2dql h VAL 58 Ca 0.01 -1.31 0.06 0.00 0.82 0.00 0.00 66.70 66.29 2dql h VAL 58 Cb 0.12 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 2dql h VAL 58 CO -0.04 0.43 -0.20 0.25 0.02 0.00 0.00 177.57 178.03 2dql h LEU 59 N 0.57 -0.65 0.00 2.57 5.85 -0.76 0.04 115.31 122.93 2dql h LEU 59 Ca 0.08 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2dql h LEU 59 Cb 0.73 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2dql h LEU 59 CO 0.05 -0.24 -0.20 1.88 -0.34 0.00 0.00 178.44 179.59 2dql h TYR 60 N -0.20 0.00 -0.39 1.25 0.99 -1.15 -0.28 116.97 117.19 2dql h TYR 60 Ca 0.14 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.72 2dql h TYR 60 Cb 0.41 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.13 2dql h TYR 60 CO -0.36 0.00 -0.32 0.77 -0.00 0.00 0.00 178.16 178.25 2dql h SER 61 N 0.00 0.96 -0.40 3.88 0.02 -0.74 -0.12 113.55 117.14 2dql h SER 61 Ca 0.00 -0.45 -0.09 0.00 -0.84 0.00 0.00 61.79 60.42 2dql h SER 61 Cb 0.83 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2dql h SER 61 CO 0.00 1.20 -0.08 0.00 -1.14 0.00 0.00 176.83 176.81 2dql h ALA 62 N 0.78 0.55 -0.66 3.77 0.00 -0.65 -1.55 119.26 121.50 2dql h ALA 62 Ca 0.07 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2dql h ALA 62 Cb 0.90 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2dql h ALA 62 CO 0.08 0.41 0.24 0.82 0.00 0.00 0.00 179.25 180.80 2dql h ILE 63 N 0.57 1.25 -0.54 0.00 1.08 -0.93 -0.53 117.51 118.41 2dql h ILE 63 Ca 0.10 -0.81 -0.00 0.00 -0.39 0.00 0.00 64.86 63.76 2dql h ILE 63 Cb 0.60 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 2dql h ILE 63 CO 0.04 0.32 0.32 0.50 -0.69 0.00 0.00 178.15 178.64 2dql h LYS 64 N 0.95 0.74 -0.01 2.37 3.64 -0.87 1.00 116.57 124.39 2dql h LYS 64 Ca 0.22 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2dql h LYS 64 Cb 0.25 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2dql h LYS 64 CO -0.01 0.54 -0.07 0.35 -2.27 0.00 0.00 179.45 177.99 2dql h PHE 65 N 0.73 -0.16 -0.86 1.91 3.57 -0.88 0.22 116.94 121.47 2dql h PHE 65 Ca 0.19 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 2dql h PHE 65 Cb -0.01 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 2dql h PHE 65 CO -0.02 -0.10 0.47 -0.07 -2.23 0.00 0.00 178.31 176.35 2dql h LEU 66 N -0.11 1.08 -0.19 0.59 3.38 -0.72 -1.71 115.31 117.63 2dql h LEU 66 Ca 0.03 -0.10 -0.22 0.00 0.09 0.00 0.00 57.88 57.68 2dql h LEU 66 Cb 0.15 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.63 2dql h LEU 66 CO -0.08 0.87 -0.75 -0.33 0.09 0.00 0.00 178.44 178.24 2dql h GLU 67 N 1.20 0.79 -0.46 1.13 5.08 -0.57 0.20 114.58 121.95 2dql h GLU 67 Ca 0.30 -0.63 0.02 0.00 -1.00 0.00 0.00 59.36 58.05 2dql h GLU 67 Cb 0.03 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2dql h GLU 67 CO -0.05 1.24 0.31 -0.44 -1.00 0.00 0.00 179.01 179.07 2dql h ASP 68 N 0.55 0.49 -0.32 1.42 3.32 -0.37 -0.87 116.42 120.64 2dql h ASP 68 Ca -0.04 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2dql h ASP 68 Cb 1.38 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2dql h ASP 68 CO 0.16 0.35 0.00 0.59 -1.72 0.00 0.00 179.24 178.62 2dql n ASN 69 N -4.47 2.17 -2.44 6.45 3.02 -0.66 -4.93 115.26 114.41 2dql n ASN 69 Ca 0.04 -1.88 -0.19 0.00 -0.03 0.00 0.00 54.58 52.52 2dql n ASN 69 Cb 0.10 -0.21 -0.01 0.00 -0.61 0.00 0.00 39.78 39.05 2dql n ASN 69 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2dql n ARG 70 N 0.67 -1.92 0.10 3.52 1.74 -0.33 -4.86 116.66 115.56 2dql n ARG 70 Ca 0.16 0.92 0.00 0.00 -0.77 0.00 0.00 57.85 58.16 2dql n ARG 70 Cb 0.38 -5.58 -0.03 0.00 -1.02 0.00 0.00 32.46 26.21 2dql n ARG 70 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dql h ALA 71 N 1.00 0.63 -2.33 7.54 0.00 -0.86 -3.44 119.26 121.80 2dql h ALA 71 Ca -0.46 -0.64 -0.23 0.00 0.00 0.00 0.00 54.91 53.58 2dql h ALA 71 Cb 1.34 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 19.00 2dql h ALA 71 CO 0.54 0.81 -0.66 0.96 0.00 0.00 0.00 179.25 180.89 2dql s ILE 72 N -2.91 0.40 0.19 0.00 -4.36 -1.20 -1.02 121.20 112.31 2dql s ILE 72 Ca 0.01 -1.93 0.09 0.00 -0.26 0.00 0.00 60.65 58.56 2dql s ILE 72 Cb 0.08 -2.01 -0.04 0.00 1.25 0.00 0.00 42.46 41.74 2dql s ILE 72 CO 0.78 -0.54 -0.17 0.42 0.24 0.00 0.00 174.94 175.66 2dql s THR 73 N -3.84 1.85 0.06 8.37 -4.23 0.05 -4.64 115.64 113.27 2dql s THR 73 Ca 0.22 -2.10 0.03 0.00 -1.18 0.00 0.00 61.69 58.66 2dql s THR 73 Cb 0.07 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.90 2dql s THR 73 CO 0.01 -0.45 -0.10 -0.83 -0.54 0.00 0.00 174.62 172.71 2dql s GLY 74 N -3.04 0.70 -0.09 3.99 0.00 -1.26 -1.55 107.32 106.07 2dql s GLY 74 Ca 0.20 -0.94 -0.20 0.00 0.00 0.00 0.00 44.72 43.78 2dql s GLY 74 CO 0.08 -0.99 0.48 -2.52 0.00 0.00 0.00 173.10 170.15 2dql s TYR 75 N -1.60 -0.45 0.03 1.90 -0.85 -0.66 -4.95 117.35 110.78 2dql s TYR 75 Ca -0.04 0.91 -0.28 0.00 -0.52 0.00 0.00 57.07 57.13 2dql s TYR 75 Cb -0.08 0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.43 2dql s TYR 75 CO 0.01 -0.40 0.91 -1.58 -1.52 0.00 0.00 175.55 172.97 2dql s TRP 76 N -0.68 3.71 -0.02 -3.49 0.52 -1.26 -0.22 118.94 117.50 2dql s TRP 76 Ca -0.08 1.64 0.04 0.00 0.02 0.00 0.00 56.10 57.72 2dql s TRP 76 Cb -0.03 -3.02 -0.01 0.00 -1.15 0.00 0.00 33.47 29.26 2dql s TRP 76 CO 0.04 0.11 -0.12 0.21 0.02 0.00 0.00 176.95 177.21 2dql s LYS 77 N 0.52 1.11 -0.42 4.98 2.20 0.22 -4.94 119.74 123.41 2dql s LYS 77 Ca 0.47 -0.43 -0.22 0.00 -0.36 0.00 0.00 55.97 55.42 2dql s LYS 77 Cb -0.21 -1.05 0.02 0.00 -1.51 0.00 0.00 37.83 35.08 2dql s LYS 77 CO 0.27 0.22 0.74 0.15 -0.36 0.00 0.00 175.35 176.37 2dql s LYS 78 N -0.11 3.50 0.44 4.03 1.02 -1.26 -1.44 119.74 125.91 2dql s LYS 78 Ca 0.01 -0.04 -0.18 0.00 0.02 0.00 0.00 55.97 55.79 2dql s LYS 78 Cb -0.07 -3.89 -0.09 0.00 -0.52 0.00 0.00 37.83 33.25 2dql s LYS 78 CO 0.00 -0.99 0.91 -0.51 -0.92 0.00 0.00 175.35 173.85 2dql s LEU 79 N 3.08 3.86 0.24 3.17 1.43 -1.26 -5.01 118.68 124.19 2dql s LEU 79 Ca 0.28 1.54 -0.30 0.00 -1.03 0.00 0.00 54.13 54.62 2dql s LEU 79 Cb -0.13 -4.41 -0.10 0.00 0.03 0.00 0.00 46.19 41.58 2dql s LEU 79 CO 0.20 -0.41 1.38 -1.61 0.23 0.00 0.00 176.35 176.14 2dql s GLU 80 N -3.47 4.32 0.00 1.70 2.02 -1.26 -2.61 118.70 119.40 2dql s GLU 80 Ca 0.59 2.20 0.00 0.00 0.02 0.00 0.00 54.97 57.78 2dql s GLU 80 Cb -0.10 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 31.00 2dql s GLU 80 CO 0.21 -0.33 0.00 0.41 0.02 0.00 0.00 175.26 175.57 2dql n GLY 81 N 2.07 0.53 2.97 -1.39 0.00 -1.26 -4.99 105.19 103.11 2dql n GLY 81 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 2dql n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dql s ARG 82 N -0.42 1.29 0.08 1.61 0.52 -1.07 -5.04 118.95 115.92 2dql s ARG 82 Ca 0.00 -0.28 -0.14 0.00 -0.52 0.00 0.00 55.73 54.79 2dql s ARG 82 Cb 0.00 -1.13 -0.16 0.00 0.52 0.00 0.00 34.95 34.18 2dql s ARG 82 CO 0.00 -0.01 1.29 0.78 0.02 0.00 0.00 175.30 177.37 2dql h GLY 83 N 7.02 0.78 -5.71 -3.53 0.00 -1.94 -3.39 103.07 96.30 2dql h GLY 83 Ca -0.34 -1.09 -0.57 0.00 0.00 0.00 0.00 47.33 45.32 2dql h GLY 83 CO 0.48 0.97 0.88 -1.60 0.00 0.00 0.00 176.54 177.27 2dql s ARG 84 N -3.75 4.04 0.72 4.80 3.52 -1.26 -4.97 118.95 122.04 2dql s ARG 84 Ca -0.11 1.16 -0.16 0.00 -0.13 0.00 0.00 55.73 56.49 2dql s ARG 84 Cb 0.08 -3.78 0.03 0.00 -1.56 0.00 0.00 34.95 29.72 2dql s ARG 84 CO 0.88 -0.95 1.24 -1.25 -0.81 0.00 0.00 175.30 174.41 2dql s PRO 85 N 3.78 2.17 0.10 5.12 0.04 -1.26 -4.71 135.00 140.25 2dql s PRO 85 Ca 0.49 1.88 0.09 0.00 0.04 0.00 0.00 61.00 63.50 2dql s PRO 85 Cb -0.14 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2dql s PRO 85 CO 0.17 -1.84 -0.24 1.03 0.04 0.00 0.00 177.00 176.17 2dql s ARG 86 N -3.76 1.30 -0.44 4.56 1.81 -0.52 -4.91 118.95 116.99 2dql s ARG 86 Ca 0.77 -1.21 -0.21 0.00 -1.72 0.00 0.00 55.73 53.36 2dql s ARG 86 Cb -0.32 -1.64 0.02 0.00 -0.45 0.00 0.00 34.95 32.56 2dql s ARG 86 CO 0.44 0.39 0.68 0.50 -0.68 0.00 0.00 175.30 176.63 2dql s ARG 87 N -1.86 3.34 0.07 3.54 3.52 -1.26 -0.61 118.95 125.68 2dql s ARG 87 Ca 0.10 -0.28 -0.25 0.00 -0.13 0.00 0.00 55.73 55.17 2dql s ARG 87 Cb -0.10 -3.94 -0.06 0.00 -1.56 0.00 0.00 34.95 29.29 2dql s ARG 87 CO 0.05 -1.02 0.76 -1.64 -0.81 0.00 0.00 175.30 172.64 2dql s MET 88 N 2.92 4.50 0.05 5.12 -1.94 0.69 -4.41 119.30 126.23 2dql s MET 88 Ca 0.24 1.08 0.04 0.00 -1.71 0.00 0.00 55.69 55.34 2dql s MET 88 Cb -0.14 -3.34 -0.04 0.00 2.01 0.00 0.00 34.83 33.33 2dql s MET 88 CO 0.20 0.35 -0.02 0.71 -0.01 0.00 0.00 175.02 176.25 2dql s TYR 89 N -0.31 2.98 0.01 -0.03 2.02 0.11 -1.66 117.35 120.48 2dql s TYR 89 Ca 0.38 -0.01 -0.02 0.00 -0.37 0.00 0.00 57.07 57.05 2dql s TYR 89 Cb -0.21 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 39.76 2dql s TYR 89 CO 0.24 0.45 0.03 -0.65 -1.57 0.00 0.00 175.55 174.05 2dql s GLN 90 N -1.92 0.33 0.14 -0.62 -0.21 -0.59 -3.14 119.66 113.65 2dql s GLN 90 Ca 0.22 -0.47 -0.30 0.00 0.02 0.00 0.00 55.36 54.83 2dql s GLN 90 Cb -0.11 0.13 -0.07 0.00 1.00 0.00 0.00 33.01 33.95 2dql s GLN 90 CO 0.14 -0.06 1.13 0.08 -2.12 0.00 0.00 175.29 174.45 2dql s VAL 91 N -1.26 3.92 0.38 1.09 1.01 -1.26 -0.77 120.40 123.51 2dql s VAL 91 Ca -0.14 1.56 -0.26 0.00 0.00 0.00 0.00 61.98 63.14 2dql s VAL 91 Cb -0.08 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 2dql s VAL 91 CO -0.00 0.22 1.16 -0.94 0.00 0.00 0.00 175.10 175.54 2dql s SER 92 N 0.27 6.68 0.33 3.32 1.04 -0.19 -4.86 113.70 120.30 2dql s SER 92 Ca 0.52 2.33 0.09 0.00 0.48 0.00 0.00 55.95 59.37 2dql s SER 92 Cb -0.29 -2.62 0.84 0.00 0.10 0.00 0.00 66.02 64.05 2dql s SER 92 CO 0.33 -0.56 1.79 -0.65 0.98 0.00 0.00 173.24 175.13 2dql h PRO 93 N 2.86 0.65 0.00 4.02 0.11 -1.94 0.72 132.00 138.42 2dql h PRO 93 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2dql h PRO 93 Cb 1.23 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2dql h PRO 93 CO 0.63 0.43 -0.07 1.49 -0.21 0.00 0.00 178.00 180.27 2dql h GLU 94 N 0.67 0.00 -0.40 1.05 4.81 -1.92 -2.50 114.58 116.29 2dql h GLU 94 Ca 0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 2dql h GLU 94 Cb 1.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.38 2dql h GLU 94 CO -0.34 0.07 0.00 0.91 -0.73 0.00 0.00 179.01 178.92 2dql n TRP 95 N -3.42 0.52 -0.11 0.92 7.02 0.22 -4.66 117.44 117.92 2dql n TRP 95 Ca -0.02 -0.30 -0.05 0.00 -1.02 0.00 0.00 57.50 56.11 2dql n TRP 95 Cb 0.21 -0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.11 2dql n TRP 95 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 2dql h GLN 96 N 3.85 -0.12 -0.18 -0.99 5.75 -1.14 0.32 115.11 122.60 2dql h GLN 96 Ca 0.00 0.01 -0.20 0.00 -0.15 0.00 0.00 58.65 58.30 2dql h GLN 96 Cb 0.90 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.48 2dql h GLN 96 CO 0.00 -0.08 -0.69 0.45 -2.65 0.00 0.00 178.83 175.86 2dql h HIS 97 N -0.12 0.98 -0.61 3.99 3.86 -1.83 -1.89 115.15 119.54 2dql h HIS 97 Ca 0.19 -0.40 -0.07 0.00 -1.16 0.00 0.00 60.37 58.93 2dql h HIS 97 Cb 0.42 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 2dql h HIS 97 CO -0.43 1.22 0.10 0.37 0.86 0.00 0.00 177.93 180.05 2dql h GLN 98 N 0.53 1.01 -0.79 2.45 5.75 -1.81 -2.60 115.11 119.66 2dql h GLN 98 Ca -0.03 -0.27 -0.03 0.00 -0.15 0.00 0.00 58.65 58.18 2dql h GLN 98 Cb 1.30 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.70 2dql h GLN 98 CO 0.14 0.95 0.39 0.00 -2.65 0.00 0.00 178.83 177.66 2dql h ALA 99 N 1.02 1.01 -0.73 3.38 0.00 -0.25 -1.87 119.26 121.82 2dql h ALA 99 Ca 0.18 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2dql h ALA 99 Cb 0.43 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2dql h ALA 99 CO 0.01 0.57 0.45 1.49 0.00 0.00 0.00 179.25 181.77 2dql h GLU 100 N 1.11 0.83 -0.63 0.00 4.57 -1.07 0.17 114.58 119.56 2dql h GLU 100 Ca 0.27 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 2dql h GLU 100 Cb 0.10 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 2dql h GLU 100 CO -0.04 0.55 0.32 -0.44 -1.18 0.00 0.00 179.01 178.23 2dql h ASP 101 N 0.86 0.80 -0.13 1.04 3.32 -1.03 -2.14 116.42 119.13 2dql h ASP 101 Ca 0.30 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 57.08 2dql h ASP 101 Cb 0.07 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2dql h ASP 101 CO -0.13 0.69 -0.50 -0.07 -1.72 0.00 0.00 179.24 177.51 2dql h LEU 102 N 0.86 0.77 -1.28 1.55 3.38 -0.80 -2.95 115.31 116.83 2dql h LEU 102 Ca 0.22 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.84 2dql h LEU 102 Cb 0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2dql h LEU 102 CO -0.03 1.13 0.50 0.00 0.09 0.00 0.00 178.44 180.14 2dql h ALA 103 N 0.89 1.56 -0.74 1.53 0.00 -0.43 -1.15 119.26 120.92 2dql h ALA 103 Ca 0.02 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2dql h ALA 103 Cb 1.06 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2dql h ALA 103 CO 0.10 0.36 0.49 0.00 0.00 0.00 0.00 179.25 180.19 2dql h ARG 104 N 0.92 0.91 -0.76 0.00 -0.00 -1.22 -1.16 114.38 113.07 2dql h ARG 104 Ca 0.31 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.98 59.71 2dql h ARG 104 Cb 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 29.97 29.81 2dql h ARG 104 CO -0.09 0.60 0.40 -0.07 0.00 0.00 0.00 179.97 180.80 2dql h LEU 105 N 0.93 0.97 -0.17 3.04 3.38 -1.18 -0.82 115.31 121.46 2dql h LEU 105 Ca 0.28 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2dql h LEU 105 Cb -0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 2dql h LEU 105 CO -0.07 0.80 -0.10 -0.25 0.09 0.00 0.00 178.44 178.90 2dql h TRP 106 N 1.06 0.43 -0.86 1.13 2.91 -1.28 -0.62 115.95 118.72 2dql h TRP 106 Ca 0.26 -0.11 0.09 0.00 1.13 0.00 0.00 58.89 60.26 2dql h TRP 106 Cb 0.07 -0.10 -0.07 0.00 -0.51 0.00 0.00 29.16 28.55 2dql h TRP 106 CO 0.00 0.70 0.51 0.37 -1.03 0.00 0.00 178.44 179.00 2dql h GLN 107 N 0.03 0.84 -0.20 2.65 4.15 -0.98 -1.13 115.11 120.47 2dql h GLN 107 Ca 0.03 -0.05 -0.21 0.00 0.77 0.00 0.00 58.65 59.19 2dql h GLN 107 Cb 0.60 -0.19 0.01 0.00 0.21 0.00 0.00 27.48 28.11 2dql h GLN 107 CO 0.03 0.55 -0.71 -0.97 -1.93 0.00 0.00 178.83 175.81 2dql h ASN 108 N 0.86 0.96 0.01 -0.69 -0.73 -1.09 -2.59 115.58 112.31 2dql h ASN 108 Ca 0.41 -0.60 0.02 0.00 1.87 0.00 0.00 56.30 58.01 2dql h ASN 108 Cb 0.35 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.63 2dql h ASN 108 CO -0.24 1.40 -0.17 0.22 -0.37 0.00 0.00 177.43 178.26 2dql h TYR 109 N 0.58 -0.46 -0.16 0.67 3.20 -0.33 -0.71 116.97 119.78 2dql h TYR 109 Ca -0.03 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.72 2dql h TYR 109 Cb 1.33 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.79 2dql h TYR 109 CO 0.08 -0.25 -0.48 0.97 -1.64 0.00 0.00 178.16 176.84 2dql h ILE 110 N -0.29 1.33 0.39 1.81 6.09 -1.32 -2.56 117.51 122.96 2dql h ILE 110 Ca 0.05 -1.70 -0.02 0.00 -1.37 0.00 0.00 64.86 61.82 2dql h ILE 110 Cb 0.36 1.74 0.00 0.00 0.47 0.00 0.00 36.82 39.39 2dql h ILE 110 CO -0.16 0.52 -0.19 0.22 -3.07 0.00 0.00 178.15 175.47 2dql h TYR 111 N 0.33 -0.48 -0.93 2.19 3.20 -1.19 -2.41 116.97 117.67 2dql h TYR 111 Ca 0.02 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.94 2dql h TYR 111 Cb 0.97 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 39.34 2dql h TYR 111 CO 0.03 -0.20 0.61 0.28 -1.64 0.00 0.00 178.16 177.24 2dql h VAL 112 N -0.71 1.07 0.00 1.81 2.07 -1.15 -1.48 116.25 117.86 2dql h VAL 112 Ca -0.05 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2dql h VAL 112 Cb 0.50 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2dql h VAL 112 CO 0.09 0.19 0.00 0.54 0.02 0.00 0.00 177.57 178.41 2dql n ARG 113 N -4.49 0.19 0.00 1.57 1.74 -0.97 -3.56 116.66 111.14 2dql n ARG 113 Ca 0.14 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 2dql n ARG 113 Cb 0.20 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 2dql n ARG 113 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dql n THR 114 N -2.12 0.83 -0.84 0.55 -2.24 -0.82 -5.09 114.28 104.56 2dql n THR 114 Ca 0.04 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 2dql n THR 114 Cb 0.33 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 2dql n THR 114 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09